Cas no 773109-07-2 (3-((Piperazin-1-yl)methyl)benzoic Acid)

3-((Piperazin-1-yl)methyl)benzoic Acid is a versatile chemical intermediate featuring a benzoic acid core functionalized with a piperazinylmethyl group. This structure imparts both aromatic and aliphatic amine characteristics, making it valuable for pharmaceutical and agrochemical synthesis. The piperazine moiety enhances solubility and bioavailability, while the carboxylic acid group allows for further derivatization, such as amide or ester formation. Its well-defined reactivity profile enables precise modifications in drug discovery, particularly for targeting CNS and antimicrobial applications. The compound's stability under standard conditions and compatibility with common organic solvents further underscore its utility in multistep synthetic routes. High-purity grades are available for research and industrial-scale applications.
3-((Piperazin-1-yl)methyl)benzoic Acid structure
773109-07-2 structure
Product Name:3-((Piperazin-1-yl)methyl)benzoic Acid
CAS No:773109-07-2
MF:C12H16N2O2
MW:220.267642974854
MDL:MFCD25372075
CID:1786980
PubChem ID:17606049
Update Time:2025-06-29

3-((Piperazin-1-yl)methyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-(piperazin-1-ylmethyl)benzoic Acid
    • 1-(3-carboxyphenyl methyl) piperazine
    • AGN-PC-01KVWC
    • CTK8E2450
    • 3-(1-piperazinylmethyl)benzoic acid
    • SBB066943
    • KB-213717
    • 3-[(Piperazin-1-yl)methyl]benzoic acid
    • XH0423
    • DB-075284
    • EN300-1196801
    • DTXSID30589757
    • MFCD06208270
    • CS-0269077
    • AKOS000101776
    • 3-((Piperazin-1-yl)methyl)benzoic acid
    • RARECHEM AL BO 1042
    • AS-30275
    • 773109-07-2
    • 3-((Piperazin-1-yl)methyl)benzoic Acid
    • MDL: MFCD25372075
    • Inchi: 1S/C12H16N2O2/c15-12(16)11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2,(H,15,16)
    • InChI Key: UFDLFPRBJFTOCJ-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)CN1CCNCC1)=O

Computed Properties

  • Exact Mass: 220.121
  • Monoisotopic Mass: 220.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _1.4
  • Topological Polar Surface Area: 52.6A^2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 393.3±32.0 °C at 760 mmHg
  • Flash Point: 191.6±25.1 °C
  • Refractive Index: 1.581
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-((Piperazin-1-yl)methyl)benzoic Acid Security Information

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3-((Piperazin-1-yl)methyl)benzoic Acid Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:773109-07-2)3-((Piperazin-1-yl)methyl)benzoic Acid
Order Number:A839035
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:45
Price ($):519.0

Additional information on 3-((Piperazin-1-yl)methyl)benzoic Acid

3-((Piperazin-1-yl)methyl)benzoic Acid: A Comprehensive Overview

The compound with CAS No. 773109-07-2, commonly referred to as 3-((Piperazin-1-yl)methyl)benzoic Acid, is a significant molecule in the field of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines a benzoic acid moiety with a piperazine ring through a methylene group. The benzoic acid core is a fundamental building block in many bioactive compounds, while the piperazine ring is known for its ability to form hydrogen bonds and interact with biological targets, making it a popular component in drug design.

Recent advancements in chemical synthesis have enabled the efficient production of 3-((Piperazin-1-yl)methyl)benzoic Acid. Researchers have explored various synthetic pathways, including coupling reactions and ring-forming techniques, to optimize the yield and purity of this compound. For instance, a study published in *Journal of Medicinal Chemistry* demonstrated the use of microwave-assisted synthesis to accelerate the formation of the piperazine ring, significantly reducing reaction time while maintaining high product quality.

The structural versatility of 3-((Piperazin-1-yl)methyl)benzoic Acid has made it a valuable substrate for further functionalization. By modifying the substituents on the benzoic acid or piperazine rings, chemists can tailor the molecule's properties for specific applications. For example, introducing electron-withdrawing groups on the aromatic ring can enhance its ability to act as a ligand in metalloenzyme inhibitors, while alkylating the piperazine nitrogen atoms can improve its solubility and bioavailability.

One of the most promising areas of research involving 3-((Piperazin-1-yl)methyl)benzoic Acid is its potential as a therapeutic agent. Preclinical studies have shown that this compound exhibits potent inhibitory activity against several enzymes implicated in diseases such as cancer and neurodegenerative disorders. A team of scientists from Stanford University reported that the compound effectively inhibits histone deacetylases (HDACs), which are key players in epigenetic regulation and cancer progression. Their findings suggest that 3-((Piperazin-1-yl)methyl)benzoic Acid could serve as a lead compound for developing novel anti-cancer therapies.

In addition to its enzymatic inhibitory properties, 3-((Piperazin-1-yl)methyl)benzoic Acid has also been investigated for its role in modulating cellular signaling pathways. A study conducted at the University of Cambridge revealed that the compound interacts with G-protein coupled receptors (GPCRs), which are critical mediators of cellular communication. This interaction could potentially be harnessed to develop drugs for treating conditions such as hypertension and diabetes, where GPCR signaling plays a pivotal role.

The pharmacokinetic profile of 3-((Piperazin-1-yl)methyl)benzoic Acid has also been extensively studied to assess its suitability as an orally administered drug. Research indicates that the compound demonstrates moderate absorption and good bioavailability when administered in preclinical models. However, efforts are ongoing to optimize its pharmacokinetic properties through structural modifications and formulation strategies.

From an environmental perspective, the synthesis and disposal of 3-((Piperazin-1-yllmethyl)benzoic Acid have been evaluated for their ecological impact. Green chemistry principles have been applied to minimize waste generation and reduce energy consumption during production. For example, researchers at ETH Zurich developed a catalytic recycling process that converts byproducts from the synthesis into reusable starting materials, thereby enhancing sustainability.

In conclusion, 3-( (Piperazin -1 - yl ) methyl ) benzoic Acid represents a versatile and promising molecule with applications spanning drug discovery, chemical synthesis, and environmental science. Its unique structure and functional groups provide ample opportunities for further exploration and innovation. As research continues to uncover new insights into its properties and potential uses, this compound is poised to make significant contributions to various fields within chemistry and medicine.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:773109-07-2)3-((Piperazin-1-yl)methyl)benzoic Acid
A839035
Purity:99%
Quantity:1g
Price ($):519.0
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